methyl 3-chloranyl-6-[[4-(4-ethanoylphenyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-(4-ethanoylphenyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[4-(4-acetylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C23H22ClN3O3S2 MolecularWeight: 488.02208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C23H22ClN3O3S2/c1-14(28)15-3-6-17(7-4-15)26-9-11-27(12-10-26)23(31)25-16-5-8-18-19(13-16)32-21(20(18)24)22(29)30-2/h3-8,13H,9-12H2,1-2H3,(H,25,31)